%chk=000241989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241989

0 1
O -6.591177 1.955122 -1.180390
O -6.273596 -2.419855 0.330752
N -4.479920 0.132332 0.065070
N 1.958099 -0.585783 -0.317648
N 3.220378 1.611064 1.021109
N 1.122833 2.417606 1.649219
N 5.354371 0.721594 0.477009
N 5.538886 -1.392516 -0.808053
N 3.648494 -2.570894 -1.513963
N 7.439908 -0.165682 -0.150369
C -3.059893 0.090928 0.094253
C -5.167731 -0.034706 -1.249701
C -5.220327 -0.496968 1.190113
C -0.244482 0.257935 0.206296
C -2.303139 0.323111 -1.079097
C -2.373638 -0.069934 1.323455
C -5.476116 1.349399 -1.844601
C -5.182374 -2.033697 1.192230
C -0.914717 0.400958 -1.017942
C -0.986184 0.011792 1.372338
C 1.227027 0.349217 0.266048
C 1.875271 1.476658 0.966124
C 3.328593 -0.479956 -0.251255
C 3.989217 0.621486 0.421858
C 4.176524 -1.486756 -0.862431
C 6.067230 -0.279483 -0.150957
H -6.124535 -0.600928 -1.110533
H -4.570545 -0.641941 -1.963430
H -6.287997 -0.167175 1.125355
H -4.824585 -0.101429 2.152950
H -2.793224 0.442753 -2.042054
H -2.924989 -0.251145 2.243333
H -5.827491 1.268003 -2.890888
H -4.610179 2.033727 -1.789212
H -5.363132 -2.444607 2.201131
H -4.238117 -2.438309 0.786600
H -0.339691 0.570190 -1.930163
H -0.467933 -0.120998 2.323990
H -6.376480 2.093807 -0.233341
H -6.327731 -3.392624 0.267212
H 1.595255 3.235587 2.015409
H 0.147560 2.530127 1.418396
H 4.249330 -3.265903 -1.927959
H 2.648438 -2.696049 -1.572213
H 8.009816 -0.913623 -0.509933
H 7.880693 0.568960 0.382478


%chk=000241989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241989

0 1
O -6.215956 1.922274 -1.450022
O -6.127363 -2.523583 0.672144
N -4.517201 -0.101945 -0.096679
N 1.972026 -0.345472 -0.487551
N 3.280396 1.235732 1.499737
N 1.234441 2.082198 2.188787
N 5.390378 0.439093 0.756571
N 5.511119 -1.090382 -1.190040
N 3.545602 -1.811252 -2.272259
N 7.420634 -0.361936 -0.066754
C -3.121447 0.005800 0.035944
C -5.147561 -0.326527 -1.419046
C -5.375967 -0.274600 1.090303
C -0.244847 0.280566 0.296884
C -2.260745 0.032742 -1.110118
C -2.489378 0.099291 1.317762
C -5.365261 0.987672 -2.200132
C -5.396973 -1.705516 1.654538
C -0.870042 0.155529 -0.974345
C -1.094765 0.240095 1.437402
C 1.232247 0.369170 0.391553
C 1.930860 1.216100 1.368181
C 3.339310 -0.302607 -0.384456
C 4.020960 0.455347 0.636364
C 4.160781 -1.076844 -1.295462
C 6.048310 -0.328025 -0.160344
H -6.123077 -0.805442 -1.240413
H -4.552550 -1.038953 -2.024195
H -6.410365 -0.007450 0.810980
H -5.068655 0.426081 1.889223
H -2.679152 -0.041106 -2.117151
H -3.079697 0.044123 2.236709
H -5.918200 0.779185 -3.131626
H -4.398981 1.466873 -2.459525
H -5.922268 -1.704303 2.634377
H -4.362781 -2.078901 1.797668
H -0.236354 0.161134 -1.867548
H -0.658912 0.253586 2.443455
H -5.736536 2.156000 -0.613629
H -6.061651 -3.480418 0.913941
H 1.786649 2.688457 2.793887
H 0.237499 2.240028 2.067780
H 4.104034 -2.373837 -2.908946
H 2.526449 -1.802784 -2.304282
H 7.949928 -0.920872 -0.729618
H 7.873061 0.177074 0.666548


